tributoxyyttrium

• ChemBase ID: 147442
• Molecular Formular: C12H27O3Y
• Molecular Mass: 308.24683
• Monoisotopic Mass: 308.10186772
• SMILES: CCCCO[Y](OCCCC)OCCCC
• Canonical SMILES: CCCCO[Y](OCCCC)OCCCC
• InChI: InChI=1S/3C4H9O.Y/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
• InChIKey: PCOPFSXTYFFNIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributoxyyttrium
• IUPAC Traditional name: tributoxyyttrium
• Synonyms: Yttrium(III) butoxide solution; 丁醇钇(III) 溶液

Database IDs

• CAS Number: 111941-71-0
• MDL Number: MFCD00797391
• PubChem SID: 24873524; 162241630
• PubChem CID: 4320949

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1973
• LogD (pH = 7.4): 4.1973
• Log P: 4.1973
• Molar Refractivity: 62.7615 cm^3
• Polarizability: 29.238644 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 109 °C
• Flash Point: 46.4 °F; 8 °C
• Density: 0.9 g/mL at 25 °C
• Refractive Index: n20/D 1.495

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1294
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 63-11-38-48/20-65-67
• Safety Statements: 16-36/37-62
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H315-H319-H336-H361d-H373
• GHS Precautionary statements: P210-P261-P281-P301 + P310-P305 + P351 + P338-P331
• RID/ADR: UN 1294 3/PG 2

Product Information

• Purity: ≥99.9% trace metals basis
• Concentration: 0.5 M in toluene
• Linear Formula: Y(OC4H9)3

DETAILS

Sigma Aldrich - 510661

Application
Precursor to composite film electrode for solid oxide fuel cells.1
Packaging
25, 100 mL in glass bottle